From: chemistry-request at ccl.net <br />
To: chemistry-request at ccl.net<br />
Date: Fri Oct  8 21:43:23 2010<br />
Subject: 10.11.12 <span class="fancysmall">Frontiers in the Simulations of Macromolecules, Los Angeles, CA</span><br />

<pre>
Frontiers in the Simulations of Macromolecules
Friday, November 12th | Saturday November 13th | Sunday November 14th, 2010
Los Angeles, CA
<a href="https://michele.usc.edu/FSM2010/program.html" target="_blank">https://michele.usc.edu/FSM2010/program.html</a>

Symposium in Honor of Prof. Arieh Warshel

Please note that this is a preliminary program, subject to change
Conference registration will begin from 8:00 on the morning of the 12th,
and will be possible at any point during the conference. Friday&#39;s sessions
will take place in the Embassy Room of the Davidson Conference Center, and
Saturday and Sunday&#39;s sessions on the ground floor of the Seeley G. Mudd
building (for directions, see the USC interactive map).

Friday November 12th
8:45am - 9:00am  Conference Opening and General Information

Session One.   Session Chair To Be Announced
9:00am - 9:35am  Prof. Rudolph A. Marcus, Caltech
Title: From On-Water Catalysis of Organic Reactions to Blinking Dyes and
Quantum Data

9:35am - 10:10am   Prof. Harry Gray, Caltech
Title: Electron Flow Through Proteins

10:10am - 10:45am  Prof. William Parson, University of Washington
Title: Fluorescence from Miniproteins Containing Tryptophan

10:45am - 11:15am Coffee and Refreshments

Session Two.     Session Chair To Be Announced
11:15am - 11:50am  Prof. Wilfred van Gunsteren, ETH ZTitle:
Methodological Advances in the Computation of Relative Free Energies

11:50am - 12:25pm  Prof. Barry Honig, Columbia
Title: Multiscale Experimental and Computational Studies of
Cadherin-Mediated Cell-Cell Adhesion.

12:25pm - 02:00pm        Lunch, Vineyard Room, Davidson Conference Center

Session Three.   Session Chair To Be Announced
02:00pm - 02:35pm  Prof. Donald Hilvert, ETH ZTitle: Designer Enzymes

02:35pm - 03:10pm  Prof. Johan vist, Uppsala University
Title: Computational Studies of Protein Synthesis on the Ribosome

03:10pm - 03:45pm  Prof. Jenn-Kang Hwang, National Chaio Tung University
Title: On the Relationship Between Catalytic Residues and their Protein
Contact Number

03:45pm - 04:15pm    Coffee and Refreshments

Session Four.    Session Chair To Be Announced
04:15pm - 04:35pm  Dr. Peter Varnai, University of Sussex
Title: Switching Mechanism of Bistable RNA Studied by a Coupled
Structure-Based Potential

04:35pm - 04:55pm    Dr. Florent Barbault, University Paris Diderot
Title: Targeted Molecular Dynamics Simulations of the Folding of 
a Simplified Model of HIV-1 gp41 and its Implication to Drug Design

04:55pm - 05:15pm   Prof. Arieh Warshel, University of Southern California
05:15pm - 06:00pm   Free Time
06:00pm - 07:30pm   Reception
07:30pm - 10:00pm   Gala Dinner Location to be Announced

Saturday November 13th

Session Five.     Session Chair To Be Announced

9:00am - 9:35am Prof. Michael Levitt, Stanford University
Title: Mesoscale Modeling of Macromolecular Machines

9:35am - 10:10am    Prof. William Gelbart, UCLA
Title: Coarse-Grained Structure of Large RNA Molecules, and the Packaging
of Viral Genomes

10:10am - 10:45am   Prof. Walter Englander, University of Pennsylvania
Title: Protein Folding and Misfolding: Mechanism and Principles

10:45am - 11:15amCoffee and Refreshments
Session Six.     Session Chair To Be Announced

11:15am - 11:50am  Prof. Neville Kallenbach, New York University
Title: Conformation of Model Peptides in Solution

11:50am - 12:25pm Prof. Ernst-Walter Knapp, Freie Universitat Berlin
Title: Marriage of Electrostatic and Quantum Chemistry to Compute
Protonation and Redox Equilibria

12:25pm - 02:00pm          Lunch

Session Seven.   Session Chair To Be Announced
02:00pm - 02:35pm  Prof. Thomas Wesolowski
Title: Non-Empirical QM/MM Methods for Numerical Simulations in Condensed
Matter: &quot;Rainbow Chasing&quot;, or a Realistic Objective?

02:35pm - 03:10pm  Prof. Fahmi Himo, Stockholm University
Title: Aspects of Quantum Chemical Modeling of Enzymes

03:10pm - 03:45pm   Prof. Per Siegbahn, Stockholm University
Title: The Mechanisms of Cytochrome C Oxidase

03:45pm - 06:00pm   Poster Session,
Accompanied by Coffee and Refreshments
 
Sunday November 14th

Session Eight.  Session Chair To Be Announced
9:00am - 9:35am   Prof. Peter Wolynes, UCSD
Title: Protein Folding and Function: The Energy Landscape Perspective

9:35am - 10:10am Prof. William Eaton, National Institutes of Health
Title: Toward Observing Transition Paths in Protein Folding from Single
Molecule Photon Trajectories

10:10am - 10:45am Prof. Michael Waterman, University of Southern California
Title: Reading DNA Sequences Along Eulerian Paths

10:45am - 11:15am Coffee and Refreshments
11:15am - 11:30am Prof. Arieh Warshel Closing Words
12:00pm   Conference Close</pre>
<b>NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!</b><br />
All @ signs were changed to ++ to fight spam. Before you send e-mail, you
need to change ++ to @<br />
For example: change joe++big123comp.com to joe@big123comp.com<br />
<em>Please let colleagues know about conference listingts at
Computational Chemistry List Conference Page at</em>
<a href="http://www.ccl.net/chemistry/a/conferences/"
class="link">http://www.ccl.net/chemistry/a/conferences/</a>.